Project 1 - Parsing NASA thermodynamic data

AIM:

To write a code in matlab to parse the NASA thermodynamic data file and then calculate the thermodynamic properties of the various gas species.

OBJECTIVES:

To write a function thet extracted the 14 co efficients and calculate the enthalpy, entropy,and spcific heats for all the species in the NASA thermodynamics data file "Thermo.dat".

FILE PARSING:

File parsing refers to how infermation can be read from the particular text file or any type of file and how that infermation can be used in a computer program.

Define the function

creat an input parse object

Add inputs to the scheme

Set properties to adjest parsing

parse the input

use the inputs in funcion

Calling function

NASA Thermodynamic file:

THERMO.dat file containing 14 co efficients for 53 different elements given by NASA.

Function for specific heat

Function for Enthalpy

Function for Entropy

Function for Molecular Weight

FUNCTION FOR PECIFIC HEAT:

% Specific heat calculation function 

function cp = Specificheat(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,Temp,R,global_medium_temp)
% comparing the global temperature
% if less then global temperature - minimum coefficients are taken
if Temp <= global_medium_temp
    cp = R*(a8+(a9*Temp)+(a10*(Temp).^2)+(a11*(Temp).^3)+(a12*(Temp).^4));
else
    cp = R*(a1+(a2*Temp)+(a3*(Temp).^2)+(a4*(Temp).^3)+(a5*(Temp).^4));
    % else maximum co efficient are taken 
end

FUNCTION FOR ENTHALPY:

% Enthalpy calculation function

function H = Enthalpy(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a13,Temp,R,global_medium_temp)
%comparing with global temperature
% if less than global temperature - minimum co efficients are taken 
if Temp <= global_medium_temp
    H = R*Temp.*(a8+((a9*Temp)/2)+((a10*(Temp).^2)/3)+((a11*(Temp).^3)/4)+((a12*(Temp).^4)/5)+((a13./Temp)));
else
    %Else maximum co efficients are taken 
    H = R*Temp.*(a1+((a2*Temp)/2)+((a3*(Temp).^2)/3)+((a4*(Temp).^3)/4)+((a5*(Temp).^4)/5)+((a6./Temp)));
end

FUNCTION FOR ENTROPY:

% Entropy calculation Function

function S = Entropy_calc(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a14,Temp,R,global_medium_temp)
%comparing with global temperature
% if less than global temperature - minimum co efficients are taken 
if Temp <= global_medium_temp
    S = R.*(a8.*log(Temp)+(a9.*Temp)+(a10*((Temp).^2)/2)+(a11*((Temp).^3)/3)+(a12*((Temp).^4)/4)+a14);
else

    %Else - maximum co efficients are taken
    S = R.*(a1.*log(Temp)+(a2.*Temp)+(a3*((Temp).^2)/2)+(a4*((Temp).^3)/3)+(a5*((Temp).^4)/4)+a7);
end

FUNCTION FOR MOLECULAR WEIGHT:

% Molecular Weight calculation function

function Molecularweight = Molecular_weight(Species_SP)
% standard - Atomic Name
atomic_name = ['H','C','O','N','A'];
% Hydregon, Carbon, Oxygen, Nitrogen, Argon

fprintf('Molecular Weight of');
fprintf(Species_SP);
fprintf(' : ');
%Standard Atomic Number
Atomic_Weight = [1.008 12.011 15.999 14.007 39.948];
% standarad Rang of Molecule
Molecularweight = 0;

% Addtion Atomic number to obtain particular value
for i = 1:length(Species_SP)
    for j = 1:length(atomic_name)
        if strcmpi(Species_SP(i),atomic_name(j))
            Molecularweight = Molecularweight + Atomic_Weight(j);
            position = j;
        end
    end
    n = str2num(Species_SP(i));

    if n>1
        Molecularweight = Molecularweight + Atomic_Weight(position)*(n-1);
    end
end
fprintf('molecular weight %s :',Species_SP);
fprintf('%d',Molecularweight);
disp(' ');
end

MAIN PROGRAM:

clear all
close all
clc

% Make directory
mkdir 'C:UsersismaelsathikkMATLAB-Drive NASA file Parsing'

% reading Data file - NASA Thermodynamic
% Open a file & 'r' open the file for reading
f1=fopen('THERMO.dat','r')
gt=fgetl(f1);

% Obtaing Temperature - Reading Header infermation
global_temp=fgetl(f1);

%splitting
t=strsplit(global_temp);

% Converting string cells to numbers using str2num,
global_low_temp=str2num(t{2});
global_medium_temp=str2num(t{3});
global_high_temp=str2num(t{4});

% Temperature range &Gas constant
% Temperature rang assumed
Temp=linspace(global_low_temp,global_high_temp,1000);
%Unuversal Gas constant J/(mol-K)
R = 8.314;

%skipping three comment lines in the file 
for i = 1:3
    gt=fgetl(f1);
end

for i = 1:53
    gt=fgetl(f1);
    A=strsplit(gt,' ');
    Species_SP=(A{1})

    line_1=fgetl(f1) ;
    a=strfind(line_1,'E');

    % Extracting higher and liwer temperature co efficients
    %%Extracting FIRST 7 co efficients i.e HIGH-temperature co efficients
    a1=line_1(1:a(1)+3);
    a1=str2num(a1);              %1
    a2=line_1(a(1)+4:a(2)+3);
    a2=str2num(a2) ;             %2
    a3=line_1(a(2)+4:a(3)+3);
    a3=str2num(a3) ;             %3
    a4=line_1(a(3)+4:a(4)+3);
    a4=str2num(a4) ;             %4
    a5=line_1(a(4)+4:a(5)+3);
    a5=str2num(a5) ;             %5

    line_2=fgetl(f1);
    b=strfind(line_1,'E');;
    a6=line_2(1:b(1)+3);
    a6=str2num(a6) ;             %6
    a7=line_2(a(1)+4:b(2)+3);
    a7=str2num(a7);              %7

    % Extracting SECOND 7 co efficients - LOW - Temperature co efficients
    a8=line_2(b(2)+4:b(3)+3);
    a8=str2num(a8) ;             %8
    a9=line_2(b(3)+4:b(4)+3);
    a9=str2num(a9) ;             %9
    a10=line_2(b(4)+4:b(5)+3);
    a10=str2num(a10) ;           %10

    line_3=fgetl(f1);
    c=strfind(line_1,'E');

    a11=line_3(1:c(1)+3);
    a11=str2num(a11) ;           %11
    a12=line_3(c(1)+4:c(2)+3);
    a12=str2num(a12) ;           %12
    a13=line_3(c(2)+4:c(3)+3);
    a13=str2num(a13) ;           %13
    a14=line_3(c(3)+4:c(4)+3);
    a14=str2num(a14) ;           %14

    % Specific heat calculation
    cp = Specificheat(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,Temp,R,global_medium_temp);

    % Entha;py calculation
    H = Enthalpy(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a13,Temp,R,global_medium_temp);

    % Entropy calculation
    S = Entropy_calc(a1,a2,a3,a4,a5,a6,a7,a8,a9,a10,a11,a12,a14,Temp,R,global_medium_temp);

    % calculate Molecular Weight of species
    Molecularweight(i) = Molecular_weight(Species_SP);

    % read and Write Molecular list
    Molecular_list = fopen('Molecular weight.txt','a+');
    fprintf( Molecular_list,'Molecular weight of %s is %d n',Species_SP,Molecularweight);
    fclose(Molecular_list);

    %potting(CP,H,S,Temp,Species_SP)
    % Saving as a folder

    cur_dir=pwd;
    mkdir(Species_SP);
    cd(Species_SP);

    % plot 1,Specific heat (CP) vs Temperature range (Temp)

    figure(1)
    plot(Temp,cp,'linewidth',2,'Color','r');
    xlabel('Temperature [K]');
    ylabel('Specific heat [KJ]');
    title(sprintf('varying Specific heat with Temperature range of %s',Species_SP));
    grid on
    saveas(figure(1),'Specific heat.jpg');

    % plot 2, Enthalpy (H) vs Tmperature range (Temp)

    figure(2)
    plot(Temp,H,'linewidth',2,'Color','g');
    xlabel('Temperature [K]');
    ylabel('Enthalpy in [KJ/(mol)]');
    title(sprintf('varying Enthalpy with Temperature range of %s',Species_SP));
    grid on
    saveas(figure(2),'Enthalpy.jpg');

    % plot 3, Entropy (S) vs Temperature range (Temp)

    figure(3)
    plot(Temp,S,'linewidth',2,'Color','b');
    xlabel('Temperature [K]');
    ylabel('Entropy in [KJ/(mol-K)]');
    title(sprintf('varying Entropy with Temperature range of %s',Species_SP));
    grid on
    saveas(figure(3),'Entropy.jpg');

    cd(cur_dir);

    % Molecular weight

    M = Molecular_weight(Species_SP)
    f2 = fopen('molecular mass','w');
    fprintf('%s n %s n %f n','species','Molecular mass',M)
    fclose(f2)
end

ATTACHMENTS:

Screenshot of the window where all the folders are saved:

PLOTS IN CH2CHO:

PLOTS IN CH2OH:

OUTPUTS IN COMMAND WINDOW:

ERRORS:

I did the spelling mistake of the molecular Weight is the error.

I did to overcome the error to correct the spellings.

CONCLUTION:

Using matlab code the necessery co efficients required to evalulate various thermodynamics parameters for different species are extractedd from NASA Thermodynamic data file.

The specific heat, enthalpy ,entropy for all the species are calculated and plotted against the local temperature range.

The molecular weight is calculated all the species.